6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione

C21H17N5O3 — CID 1383251

IUPAC6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
SMILESCn1c(=O)c2c(nc3n(-c4ccccc4O)c(-c4ccccc4)cn23)n(C)c1=O
InChIInChI=1S/C21H17N5O3/c1-23-18-17(19(28)24(2)21(23)29)25-12-15(13-8-4-3-5-9-13)26(20(25)22-18)14-10-6-7-11-16(14)27/h3-12,27H,1-2H3
InChIKeyLFZFIDWNZHCMHF-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.05
Rot. Bonds2

About 6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione

6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 1383251) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
PubChem CID1383251
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC Name6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
SMILESCn1c(=O)c2c(nc3n(-c4ccccc4O)c(-c4ccccc4)cn23)n(C)c1=O
InChIInChI=1S/C21H17N5O3/c1-23-18-17(19(28)24(2)21(23)29)25-12-15(13-8-4-3-5-9-13)26(20(25)22-18)14-10-6-7-11-16(14)27/h3-12,27H,1-2H3
InChIKeyLFZFIDWNZHCMHF-UHFFFAOYSA-N
XLogP2.05
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(2-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 3162669
7-(4-chlorophenyl)-2,4-dimethyl-6-(2-methylphenyl)purino[7,8-a]imidazole-1,3-dione
CID 3386410
6-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 4655266
6-(2-ethylphenyl)-4-methyl-2-(2-oxopropyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 16626984
6-(2-ethylphenyl)-4-methyl-2-[(2S)-3-oxobutan-2-yl]-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 41183567
2,4-dimethyl-7-phenyl-6-(1,3-thiazol-2-yl)purino[7,8-a]imidazole-1,3-dione
CID 4899604
6-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3162690
7-(3,4-dimethoxyphenyl)-6-(2-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 3448454
6-(3-bromo-4-methylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 1039534
6-(2,3-dimethylphenyl)-7-(4-fluorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 16812097
6-(2-fluorophenyl)-4-methyl-2-(2-oxopropyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 16615242
2,4-dimethyl-6-(2-methylphenyl)-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione
CID 3672259

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione (CID 1383251) is 6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione is Cn1c(=O)c2c(nc3n(-c4ccccc4O)c(-c4ccccc4)cn23)n(C)c1=O.
What is the InChIKey of 6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is LFZFIDWNZHCMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c1-23-18-17(19(28)24(2)21(23)29)25-12-15(13-8-4-3-5-9-13)26(20(25)22-18)14-10-6-7-11-16(14)27/h3-12,27H,1-2H3.
What are the key properties of 6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?
6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 387.40 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 1383251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).